(3R)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate

C13H14NO3- — CID 6922046

IUPAC(3R)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCCc1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1
InChIInChI=1S/C13H15NO3/c1-2-9-3-5-11(6-4-9)14-8-10(13(16)17)7-12(14)15/h3-6,10H,2,7-8H2,1H3,(H,16,17)/p-1/t10-/m1/s1
InChIKeyDFTUTKZCUVWXKB-SNVBAGLBSA-M
MW232.26 g/mol
LogP0.35
Rot. Bonds3

About (3R)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate

(3R)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 6922046) has the molecular formula C13H14NO3- and a molecular weight of 232.26 g/mol. Its IUPAC name is (3R)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name(3R)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
PubChem CID6922046
Molecular FormulaC13H14NO3-
Molecular Weight232.26 g/mol
Exact Mass232.10
IUPAC Name(3R)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCCc1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1
InChIInChI=1S/C13H15NO3/c1-2-9-3-5-11(6-4-9)14-8-10(13(16)17)7-12(14)15/h3-6,10H,2,7-8H2,1H3,(H,16,17)/p-1/t10-/m1/s1
InChIKeyDFTUTKZCUVWXKB-SNVBAGLBSA-M
XLogP0.35
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(4-acetylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 2376773
(3R)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 6935573
(3S)-1-(4-ethylphenyl)-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide
CID 9389070
1-(4-ethylphenyl)-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide
CID 17081991
(3S)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxylate
CID 6936682
(3S)-N-(2-acetamidoethyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 30595737
(3S)-1-(4-ethylphenyl)-N,N-bis(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 9390002
(4R)-1-(4-ethylphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 9389112
1-(4-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 3116947
(3R)-N-cyclopentyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9213773
(3S)-N-[(2S)-butan-2-yl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1084262
N-butan-2-yl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2926634

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of (3R)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate (CID 6922046) is (3R)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for (3R)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for (3R)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate is CCc1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1.
What is the InChIKey of (3R)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is DFTUTKZCUVWXKB-SNVBAGLBSA-M. The full InChI is InChI=1S/C13H15NO3/c1-2-9-3-5-11(6-4-9)14-8-10(13(16)17)7-12(14)15/h3-6,10H,2,7-8H2,1H3,(H,16,17)/p-1/t10-/m1/s1.
What are the key properties of (3R)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate?
(3R)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 232.26 g/mol, XLogP of 0.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 6922046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).